(S)-N-((3R,4S,5S)-1-((S)-2-((1R,2R)-3-((4-aminophenethyl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N,3-dimethylbutanamide | 329792-20-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (S)-N-((3R,4S,5S)-1-((S)-2-((1R,2R)-3-((4-aminophenethyl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N,3-dimethylbutanamide
• 英文别名: (2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[2-(4-aminophenyl)ethylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,3-dimethylbutanamide
• CAS: 329792-20-3
• 化学式: C₃₉H₆₈N₆O₆
• 分子量: 717.006
• InChiKey: LHKLPIVDYCZXJN-VNXRAAFGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  51
• 可旋转键数：
  20
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  147
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  Dov-Val-Dil-Dap-OBzl 在 palladium 10% on activated carbon 、 氢气 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 20.0h， 生成 (S)-N-((3R,4S,5S)-1-((S)-2-((1R,2R)-3-((4-aminophenethyl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N,3-dimethylbutanamide
  参考文献：
  名称：

  [EN] NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF
  [FR] NOUVEAUX ANALOGUES D'AURISTATINE ET IMMUNOCONJUGUÉS DE CEUX-CI

  摘要：

  The invention provides novel auristatin analogs and immunoconjugates thereof, as well as pharmaceutical compositions and methods of preparation and use for treating various diseases and disorders (e.g., cancer).

  公开号：

  WO2023081230A1

文献信息

• SUBSTITUTED PEPTIDE ANALOGS
  申请人：MENDELSOHN Brian Alan

  公开号：US20130190248A1

  公开（公告）日：2013-07-25

  The present invention relates to peptide analogs, antibody-drug conjugates comprising such compounds, pharmaceutical compositions comprising such compounds and conjugates, and methods of treating cancer with such compounds and conjugates.

  本发明涉及肽类类似物、包含这种化合物的抗体-药物偶联物、包含这种化合物和偶联物的药物组合物以及使用这种化合物和偶联物治疗癌症的方法。
• Anti-CD70 antibody-drug conjugates and their use for the treatment of cancer and immune disorders
  申请人：Seattle Genetics, Inc.

  公开号：EP2100619A1

  公开（公告）日：2009-09-16

  Disclosed are anti-CD70 antibodies and derivatives thereof conjugated to cytotoxic, immunosuppressive, or other therapeutic agents, as well as pharmaceutical compositions and kits comprising the antibody- and antibody derivative-drug conjugates. Also disclosed are methods, for the treatment of CD70-expressing cancers and immunological disorders, comprising administering to a subject the disclosed pharmaceutical compositions.

  公开了与细胞毒性、免疫抑制或其他治疗剂共轭的抗CD70抗体及其衍生物，以及包含抗体和抗体衍生物-药物共轭物的药物组合物和试剂盒。还公开了治疗表达 CD70 的癌症和免疫紊乱的方法，包括给受试者施用所公开的药物组合物。
• ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 158P1D7 PROTEINS
  申请人：Agensys, Inc.

  公开号：EP3494996A1

  公开（公告）日：2019-06-12

  The invention provides an antibody-drug conjugate comprising an anti-158P1D7 antibody or antigen binding fragment thereof conjugated to monomethyl auristatin E (MMAE), wherein the antibody or fragment thereof comprises a heavy chain variable region comprising an amino acid sequence at least 80% homologous to the heavy chain variable region amino acid sequence set forth in SEQ ID NO:7 and a light chain variable region comprising an amino acid sequence at least 80% homologous to the light chain variable region amino acid sequence set forth in SEQ ID NO:8.

  本发明提供了一种抗体-药物共轭物，其包含与单甲基乌司他丁 E (MMAE) 共轭的抗-158P1D7 抗体或其抗原结合片段，其中抗体或其片段包含重链可变区，该重链可变区包含与 SEQ ID NO:7 所列重链可变区氨基酸序列至少 80% 同源的氨基酸序列，以及轻链可变区，该轻链可变区包含与 SEQ ID NO:8 所列轻链可变区氨基酸序列至少 80% 同源的氨基酸序列。
• Variant target binding agents and uses thereof
  申请人：Seattle Genetics, Inc.

  公开号：US10407505B2

  公开（公告）日：2019-09-10

  The present invention provides variant target binding agents and methods relating to the use of such binding agents for the prophylaxis or treatment of cancers and immunological disorders. The variant target binding agent is conjugated to a therapeutic agent that exerts a cytotoxic, cytostatic, or immunomodulatory effect on target cells.

  本发明提供了变体靶向结合剂以及与使用这种结合剂预防或治疗癌症和免疫紊乱有关的方法。变体靶向结合剂与对靶细胞产生细胞毒性、细胞抑制或免疫调节作用的治疗剂结合。
• Antibody drug conjugates (ADC) that bind to CD37 proteins
  申请人：AGENSYS, INC.

  公开号：US10646583B2

  公开（公告）日：2020-05-12

  Antibody drug conjugates (ADC's) that bind to CD37 protein and variants thereof are described herein. CD37 exhibits a distinct and limited expression pattern in normal adult tissue(s), and is aberrantly expressed in the cancers listed in Table I. Consequently, the ADC's of the invention in some embodiments provide a therapeutic composition for the treatment of cancer.

  本文描述了与 CD37 蛋白及其变体结合的抗体药物结合物（ADC）。CD37 在正常成人组织中表现出独特而有限的表达模式，在表 I 所列的癌症中表达异常。因此，本发明的 ADC 在某些实施方案中提供了一种治疗癌症的治疗组合物。